N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C19H18ClNO4 — CID 17444398

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCOc1cc(Cl)c(NC(=O)Cc2coc3cc(C)ccc23)cc1OC
InChIInChI=1S/C19H18ClNO4/c1-11-4-5-13-12(10-25-16(13)6-11)7-19(22)21-15-9-18(24-3)17(23-2)8-14(15)20/h4-6,8-10H,7H2,1-3H3,(H,21,22)
InChIKeyXFEBXPQPIMJPLH-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.59
Rot. Bonds5

About N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 17444398) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID17444398
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCOc1cc(Cl)c(NC(=O)Cc2coc3cc(C)ccc23)cc1OC
InChIInChI=1S/C19H18ClNO4/c1-11-4-5-13-12(10-25-16(13)6-11)7-19(22)21-15-9-18(24-3)17(23-2)8-14(15)20/h4-6,8-10H,7H2,1-3H3,(H,21,22)
InChIKeyXFEBXPQPIMJPLH-UHFFFAOYSA-N
XLogP4.59
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3946698
N-[5-chloro-2-(dimethylamino)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 55336509
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46636527
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
2-(6-methyl-1-benzofuran-3-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393726
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 18270509
(2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 4816242

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 17444398) is N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is COc1cc(Cl)c(NC(=O)Cc2coc3cc(C)ccc23)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is XFEBXPQPIMJPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-11-4-5-13-12(10-25-16(13)6-11)7-19(22)21-15-9-18(24-3)17(23-2)8-14(15)20/h4-6,8-10H,7H2,1-3H3,(H,21,22).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 359.81 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 17444398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).